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Quantum spin Hall phase in Mo2M2C3O2 (M = Ti, Zr, Hf) MXenes
The quantum spin Hall (QSH) phase is a peculiar physical phenomenon characterized by topologically protected helical edge states, with potential applications in lower-power electronics and spintronics. Here, using first-principles calculations, we predict the QSH phase in Mo 2 M 2 C 3 O 2 (M = Ti, Z...
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| Published in: | Journal of materials chemistry. C, Materials for optical and electronic devices Materials for optical and electronic devices, 2016-01, Vol.4 (48), p.11524-11529 |
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| Format: | Article |
| Language: | English |
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| container_end_page | 11529 |
| container_issue | 48 |
| container_start_page | 11524 |
| container_title | Journal of materials chemistry. C, Materials for optical and electronic devices |
| container_volume | 4 |
| creator | Si, Chen You, Jinxuan Shi, Wujun Zhou, Jian Sun, Zhimei |
| description | The quantum spin Hall (QSH) phase is a peculiar physical phenomenon characterized by topologically protected helical edge states, with potential applications in lower-power electronics and spintronics. Here, using first-principles calculations, we predict the QSH phase in Mo
2
M
2
C
3
O
2
(M = Ti, Zr, or Hf), new members with ordered structures in the family of two-dimensional transition metal carbides (MXenes). The QSH phase which is confirmed by the nontrivial
Z
2
topological invariant and Dirac edge states arises from a d-d band inversion between the M-d
xy
,
x
2
−
y
2
and the Mo-d
z
2
orbitals and a spin-orbital coupling (SOC)-induced splitting of the M-d
xy
,
x
2
−
y
2
orbital at the
Γ
point. With different M atoms, the QSH gap of Mo
2
M
2
C
3
O
2
ranges from 38 to 152 meV. These findings will broaden the scientific and technological impacts of both QSH materials and MXenes.
A new family of quantum spin Hall materials characterized by topologically protected helical edge states are predicted in Mo
2
MC
2
O
3
(M = Ti, Zr, Hf) MXenes. |
| doi_str_mv | 10.1039/c6tc04560j |
| format | article |
| fullrecord | <record><control><sourceid>proquest_rsc_p</sourceid><recordid>TN_cdi_rsc_primary_c6tc04560j</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><sourcerecordid>1864563034</sourcerecordid><originalsourceid>FETCH-LOGICAL-j302t-98062db574ab4d19e5055d812fe96af5ac777f5a11f6b47c87e7493e05eee0da3</originalsourceid><addsrcrecordid>eNp9kE1Lw0AQhhdRsNRevAvrrUKjs98J6EGCGqGhCBXES9gkE0zIl9nk4L83UNGbc3nmhYeBeQk5Z3DNQAQ3mR4zkEpDdUQWHBR4Rgl5_LtzfUpWzlUwj8-0r4MFuX2ZbDtODXV92dLI1jXtP6xDOqe44zEPxY7TdUzv6L7c0PdhQ6PiisZv2KI7IyeFrR2ufrgkr48P-zDytrun5_B-61UC-OgFPmiep8pIm8qcBahAqdxnvMBA20LZzBgzg7FCp9JkvkEjA4GgEBFyK5ZkfbjbD93nhG5MmtJlWNe2xW5yCfP1_LYAIWf18qAOLkv6oWzs8JX8FZP0eTE7F_854htuy11P</addsrcrecordid><sourcetype>Aggregation Database</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype><pqid>1864563034</pqid></control><display><type>article</type><title>Quantum spin Hall phase in Mo2M2C3O2 (M = Ti, Zr, Hf) MXenes</title><source>Royal Society of Chemistry</source><creator>Si, Chen ; You, Jinxuan ; Shi, Wujun ; Zhou, Jian ; Sun, Zhimei</creator><creatorcontrib>Si, Chen ; You, Jinxuan ; Shi, Wujun ; Zhou, Jian ; Sun, Zhimei</creatorcontrib><description>The quantum spin Hall (QSH) phase is a peculiar physical phenomenon characterized by topologically protected helical edge states, with potential applications in lower-power electronics and spintronics. Here, using first-principles calculations, we predict the QSH phase in Mo
2
M
2
C
3
O
2
(M = Ti, Zr, or Hf), new members with ordered structures in the family of two-dimensional transition metal carbides (MXenes). The QSH phase which is confirmed by the nontrivial
Z
2
topological invariant and Dirac edge states arises from a d-d band inversion between the M-d
xy
,
x
2
−
y
2
and the Mo-d
z
2
orbitals and a spin-orbital coupling (SOC)-induced splitting of the M-d
xy
,
x
2
−
y
2
orbital at the
Γ
point. With different M atoms, the QSH gap of Mo
2
M
2
C
3
O
2
ranges from 38 to 152 meV. These findings will broaden the scientific and technological impacts of both QSH materials and MXenes.
A new family of quantum spin Hall materials characterized by topologically protected helical edge states are predicted in Mo
2
MC
2
O
3
(M = Ti, Zr, Hf) MXenes.</description><identifier>ISSN: 2050-7526</identifier><identifier>EISSN: 2050-7534</identifier><identifier>DOI: 10.1039/c6tc04560j</identifier><language>eng</language><subject>Coupling ; Electron spin ; Hafnium ; Invariants ; Mathematical analysis ; Orbitals ; Transition metals ; Zirconium</subject><ispartof>Journal of materials chemistry. C, Materials for optical and electronic devices, 2016-01, Vol.4 (48), p.11524-11529</ispartof><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>314,780,784,27924,27925</link.rule.ids></links><search><creatorcontrib>Si, Chen</creatorcontrib><creatorcontrib>You, Jinxuan</creatorcontrib><creatorcontrib>Shi, Wujun</creatorcontrib><creatorcontrib>Zhou, Jian</creatorcontrib><creatorcontrib>Sun, Zhimei</creatorcontrib><title>Quantum spin Hall phase in Mo2M2C3O2 (M = Ti, Zr, Hf) MXenes</title><title>Journal of materials chemistry. C, Materials for optical and electronic devices</title><description>The quantum spin Hall (QSH) phase is a peculiar physical phenomenon characterized by topologically protected helical edge states, with potential applications in lower-power electronics and spintronics. Here, using first-principles calculations, we predict the QSH phase in Mo
2
M
2
C
3
O
2
(M = Ti, Zr, or Hf), new members with ordered structures in the family of two-dimensional transition metal carbides (MXenes). The QSH phase which is confirmed by the nontrivial
Z
2
topological invariant and Dirac edge states arises from a d-d band inversion between the M-d
xy
,
x
2
−
y
2
and the Mo-d
z
2
orbitals and a spin-orbital coupling (SOC)-induced splitting of the M-d
xy
,
x
2
−
y
2
orbital at the
Γ
point. With different M atoms, the QSH gap of Mo
2
M
2
C
3
O
2
ranges from 38 to 152 meV. These findings will broaden the scientific and technological impacts of both QSH materials and MXenes.
A new family of quantum spin Hall materials characterized by topologically protected helical edge states are predicted in Mo
2
MC
2
O
3
(M = Ti, Zr, Hf) MXenes.</description><subject>Coupling</subject><subject>Electron spin</subject><subject>Hafnium</subject><subject>Invariants</subject><subject>Mathematical analysis</subject><subject>Orbitals</subject><subject>Transition metals</subject><subject>Zirconium</subject><issn>2050-7526</issn><issn>2050-7534</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2016</creationdate><recordtype>article</recordtype><recordid>eNp9kE1Lw0AQhhdRsNRevAvrrUKjs98J6EGCGqGhCBXES9gkE0zIl9nk4L83UNGbc3nmhYeBeQk5Z3DNQAQ3mR4zkEpDdUQWHBR4Rgl5_LtzfUpWzlUwj8-0r4MFuX2ZbDtODXV92dLI1jXtP6xDOqe44zEPxY7TdUzv6L7c0PdhQ6PiisZv2KI7IyeFrR2ufrgkr48P-zDytrun5_B-61UC-OgFPmiep8pIm8qcBahAqdxnvMBA20LZzBgzg7FCp9JkvkEjA4GgEBFyK5ZkfbjbD93nhG5MmtJlWNe2xW5yCfP1_LYAIWf18qAOLkv6oWzs8JX8FZP0eTE7F_854htuy11P</recordid><startdate>20160101</startdate><enddate>20160101</enddate><creator>Si, Chen</creator><creator>You, Jinxuan</creator><creator>Shi, Wujun</creator><creator>Zhou, Jian</creator><creator>Sun, Zhimei</creator><scope>7SP</scope><scope>7SR</scope><scope>7U5</scope><scope>8BQ</scope><scope>8FD</scope><scope>JG9</scope><scope>L7M</scope></search><sort><creationdate>20160101</creationdate><title>Quantum spin Hall phase in Mo2M2C3O2 (M = Ti, Zr, Hf) MXenes</title><author>Si, Chen ; You, Jinxuan ; Shi, Wujun ; Zhou, Jian ; Sun, Zhimei</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-j302t-98062db574ab4d19e5055d812fe96af5ac777f5a11f6b47c87e7493e05eee0da3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2016</creationdate><topic>Coupling</topic><topic>Electron spin</topic><topic>Hafnium</topic><topic>Invariants</topic><topic>Mathematical analysis</topic><topic>Orbitals</topic><topic>Transition metals</topic><topic>Zirconium</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Si, Chen</creatorcontrib><creatorcontrib>You, Jinxuan</creatorcontrib><creatorcontrib>Shi, Wujun</creatorcontrib><creatorcontrib>Zhou, Jian</creatorcontrib><creatorcontrib>Sun, Zhimei</creatorcontrib><collection>Electronics & Communications Abstracts</collection><collection>Engineered Materials Abstracts</collection><collection>Solid State and Superconductivity Abstracts</collection><collection>METADEX</collection><collection>Technology Research Database</collection><collection>Materials Research Database</collection><collection>Advanced Technologies Database with Aerospace</collection><jtitle>Journal of materials chemistry. C, Materials for optical and electronic devices</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Si, Chen</au><au>You, Jinxuan</au><au>Shi, Wujun</au><au>Zhou, Jian</au><au>Sun, Zhimei</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Quantum spin Hall phase in Mo2M2C3O2 (M = Ti, Zr, Hf) MXenes</atitle><jtitle>Journal of materials chemistry. C, Materials for optical and electronic devices</jtitle><date>2016-01-01</date><risdate>2016</risdate><volume>4</volume><issue>48</issue><spage>11524</spage><epage>11529</epage><pages>11524-11529</pages><issn>2050-7526</issn><eissn>2050-7534</eissn><abstract>The quantum spin Hall (QSH) phase is a peculiar physical phenomenon characterized by topologically protected helical edge states, with potential applications in lower-power electronics and spintronics. Here, using first-principles calculations, we predict the QSH phase in Mo
2
M
2
C
3
O
2
(M = Ti, Zr, or Hf), new members with ordered structures in the family of two-dimensional transition metal carbides (MXenes). The QSH phase which is confirmed by the nontrivial
Z
2
topological invariant and Dirac edge states arises from a d-d band inversion between the M-d
xy
,
x
2
−
y
2
and the Mo-d
z
2
orbitals and a spin-orbital coupling (SOC)-induced splitting of the M-d
xy
,
x
2
−
y
2
orbital at the
Γ
point. With different M atoms, the QSH gap of Mo
2
M
2
C
3
O
2
ranges from 38 to 152 meV. These findings will broaden the scientific and technological impacts of both QSH materials and MXenes.
A new family of quantum spin Hall materials characterized by topologically protected helical edge states are predicted in Mo
2
MC
2
O
3
(M = Ti, Zr, Hf) MXenes.</abstract><doi>10.1039/c6tc04560j</doi><tpages>6</tpages></addata></record> |
| fulltext | fulltext |
| identifier | ISSN: 2050-7526 |
| ispartof | Journal of materials chemistry. C, Materials for optical and electronic devices, 2016-01, Vol.4 (48), p.11524-11529 |
| issn | 2050-7526 2050-7534 |
| language | eng |
| recordid | cdi_rsc_primary_c6tc04560j |
| source | Royal Society of Chemistry |
| subjects | Coupling Electron spin Hafnium Invariants Mathematical analysis Orbitals Transition metals Zirconium |
| title | Quantum spin Hall phase in Mo2M2C3O2 (M = Ti, Zr, Hf) MXenes |
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